SCHEMBL7479334

SCHEMBL7479334

CCOC(=O)C(C(=O)OCC)c1nsc2nc3ccccc3n12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.46
RAB9A P51151 1/20 0.44
HSD17B10 Q99714 4/20 0.43
ALDH1A1 P00352 5/20 0.42
RXFP1 Q9HBX9 2/20 0.42
PSMD14 O00487 1/20 0.41
GAA P10253 1/20 0.41
LMNA P02545 2/20 0.41
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HPGD P15428 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
HTT P42858 2/20 0.40
TP53 P04637 1/20 0.40
TSHR P16473 2/20 0.39
SAE1 Q9UBE0 1/20 0.39
UBA2 Q9UBT2 1/20 0.39
MAPT P10636 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7486172 0.80 KDM4E (0.53) KDM4ERAB9AHSD17B10ALDH1A1RXFP1
SCHEMBL7473852 0.77 TDP1 (0.53) KDM4ERAB9AHSD17B10ALDH1A1GAA
SCHEMBL7487032 0.77 KDM4E (0.46) KDM4ERAB9AHSD17B10ALDH1A1RXFP1
SCHEMBL8671446 0.74 KDM4E (0.47) KDM4EHSD17B10ALDH1A1LMNAMEN1
SCHEMBL7473993 0.73 ADORA3 (0.41) KDM4ERAB9AHSD17B10ALDH1A1RXFP1
SCHEMBL7481507 0.72 KDM4E (0.53) KDM4ERAB9AHSD17B10ALDH1A1MEN1
SCHEMBL7484099 0.72 ADORA3 (0.43) KDM4ERAB9AHSD17B10ALDH1A1RXFP1
SCHEMBL8044065 0.72 HSD17B10 (0.47) KDM4ERAB9AHSD17B10ALDH1A1RXFP1
SCHEMBL7479695 0.71 TSHR (0.46) KDM4ERAB9AHSD17B10ALDH1A1LMNA
SCHEMBL7484824 0.70 HPGD (0.44) KDM4ERAB9AHSD17B10ALDH1A1GAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0883622-B1 PROTON PUMP INHIBITOR APOTEX INC (CA) 2002-05-15 EP disclosed
US-6114537-A 1,2,4-THIADIAZOLE COMPOUND IS USEFUL FOR TRAPPING THIOL COMPOUNDS AND SELECTIVELY CHANGING THIOLS TO DISULFIDE COMPOUNDS APOTEX INC. (CA) 2000-09-05 US disclosed
US-6093738-A IMIDAZO(1,2-D)-THIADIAZOLE COMPOUNDS; PEPTIC ULCER TREATMENT KARIMIAN KHASHAYAR (CA) 2000-07-25 US disclosed
EP-0883622-A1 PROTON PUMP INHIBITOR APOTEX INC. (CA) 1998-12-16 EP disclosed
EP-0883606-A1 PROCESS FOR SCAVENGING THIOLS APOTEX INC. (CA) 1998-12-16 EP disclosed
US-5677302-A Thiadiazole compounds useful as proton pump inhibitors APOTEX INC. (CA) 1997-10-14 US disclosed
WO-1997031923-A1 PROTON PUMP INHIBITOR APOTEX INC. (CA) 1997-09-04 WO disclosed
WO-1997031893-A1 PROCESS FOR SCAVENGING THIOLS APOTEX INC. (CA) 1997-09-04 WO disclosed